| CAS Number | 890093-82-0 |
| Catalog Number | AG00H2LA |
| Chemical Name | 5-Bromopyridine-3-carbothioamide |
| IUPAC Name | 5-bromopyridine-3-carbothioamide |
| InChI | InChI=1S/C6H5BrN2S/c7-5-1-4(6(8)10)2-9-3-5/h1-3H,(H2,8,10) |
| InChI Key | QYDLEPAVFFXKAZ-UHFFFAOYSA-N |
| MDL Number | MFCD07440116 |
| Molecular Formula | C6H5BrN2S |
| Molecular Weight | 217.0863 |
| SMILES | NC(C1=CC(Br)=CN=C1)=S |
| Synonyms | 5-bromopyridine-3-carbothioamide,
890093-82-0,
AC1OGDHX,
SCHEMBL289858,
QYDLEPAVFFXKAZ-UHFFFAOYSA-N,
3-Pyridinecarbothioamide, 5-bromo-,
ZINC4243212,
AKOS000320526,
DA-01730,
ZINC04243212,
CID7147134,
|
| Complexity | 140 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.936g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.084g/mol |
| Monoisotopic Mass | 215.936g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 71A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number